UCSF

ZINC31475723

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 22 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -3.71 -3.94 -246.86 3 12 -3 203 356.144 8
Mid Mid (pH 6-8) -3.71 -5.09 -129.97 4 12 -2 200 357.152 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.